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Patent code US10676458

Compile Data Set for Download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450607
PNG
((2S,3R)-3-(2-(1-(2,5-bis(Trifluoromethyl)benzyl)pi...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2CCN(Cc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C(O)=O
Show InChI InChI=1S/C30H34F6N2O2/c1-18(28(39)40)27(20-3-4-20)21-5-2-19-8-13-38(17-22(19)14-21)25-9-11-37(12-10-25)16-23-15-24(29(31,32)33)6-7-26(23)30(34,35)36/h2,5-7,14-15,18,20,25,27H,3-4,8-13,16-17H2,1H3,(H,39,40)/t18-,27-/m0/s1
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n/an/an/an/a 611n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450622
PNG
(Sodium (2S,3R)-3-cyclopropyl-3-((R or S)-3-(2̸...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1COc2ccc(cc2N1C)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C29H30FNO4/c1-17(29(32)33)28(20-8-9-20)21-10-13-27-25(14-21)31(2)26(16-35-27)19-6-4-18(5-7-19)23-15-22(34-3)11-12-24(23)30/h4-7,10-15,17,20,26,28H,8-9,16H2,1-3H3,(H,32,33)/p-1/t17-,26?,28-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450616
PNG
(Sodium (2S,3R)-3-cyclopropyl-3-((R or S)-2-(2̸...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2N1)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C29H30FNO3/c1-17(29(32)33)28(21-8-9-21)22-10-7-20-11-14-26(31-27(20)15-22)19-5-3-18(4-6-19)24-16-23(34-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28,31H,8-9,11,14H2,1-2H3,(H,32,33)/p-1/t17-,26?,28-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450608
PNG
(Sodium (2S,3S)-3-((R or S)-3-(1-(2,5-Bis(trifluoro...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2OCC(Nc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C([O-])=O
Show InChI InChI=1S/C29H32F6N2O3/c1-16(27(38)39)26(18-2-3-18)19-4-7-25-23(13-19)36-24(15-40-25)17-8-10-37(11-9-17)14-20-12-21(28(30,31)32)5-6-22(20)29(33,34)35/h4-7,12-13,16-18,24,26,36H,2-3,8-11,14-15H2,1H3,(H,38,39)/p-1/t16-,24?,26-/m0/s1
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n/an/an/an/a 388n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450610
PNG
(Sodium (2S,3S)-3-((R or S)-3-(1-(2,5-bis(trifluoro...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2OCC(C3CCN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3)N(C)c2c1)C([O-])=O
Show InChI InChI=1S/C30H34F6N2O3/c1-17(28(39)40)27(19-3-4-19)20-5-8-26-24(14-20)37(2)25(16-41-26)18-9-11-38(12-10-18)15-21-13-22(29(31,32)33)6-7-23(21)30(34,35)36/h5-8,13-14,17-19,25,27H,3-4,9-12,15-16H2,1-2H3,(H,39,40)/p-1/t17-,25?,27-/m0/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450612
PNG
(Sodium (2S,3R)-3-((R or S)-2-(1-(2,5-bis(trifluoro...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2CCC(Nc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C([O-])=O
Show InChI InChI=1S/C30H34F6N2O2/c1-17(28(39)40)27(20-3-4-20)21-5-2-18-6-9-25(37-26(18)15-21)19-10-12-38(13-11-19)16-22-14-23(29(31,32)33)7-8-24(22)30(34,35)36/h2,5,7-8,14-15,17,19-20,25,27,37H,3-4,6,9-13,16H2,1H3,(H,39,40)/p-1/t17-,25?,27-/m0/s1
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n/an/an/an/a 99n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450618
PNG
((2S,3R)-3-cyclopropyl-3-((R or S)-2-(2′-fluo...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2N1C)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C30H32FNO3/c1-18(30(33)34)29(22-9-10-22)23-11-8-21-12-15-27(32(2)28(21)16-23)20-6-4-19(5-7-20)25-17-24(35-3)13-14-26(25)31/h4-8,11,13-14,16-18,22,27,29H,9-10,12,15H2,1-3H3,(H,33,34)/p-1/t18-,27?,29-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450616
PNG
(Sodium (2S,3R)-3-cyclopropyl-3-((R or S)-2-(2̸...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2N1)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C29H30FNO3/c1-17(29(32)33)28(21-8-9-21)22-10-7-20-11-14-26(31-27(20)15-22)19-5-3-18(4-6-19)24-16-23(34-2)12-13-25(24)30/h3-7,10,12-13,15-17,21,26,28,31H,8-9,11,14H2,1-2H3,(H,32,33)/p-1/t17-,26?,28-/m0/s1
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n/an/an/an/a 0.790n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450618
PNG
((2S,3R)-3-cyclopropyl-3-((R or S)-2-(2′-fluo...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1CCc2ccc(cc2N1C)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C30H32FNO3/c1-18(30(33)34)29(22-9-10-22)23-11-8-21-12-15-27(32(2)28(21)16-23)20-6-4-19(5-7-20)25-17-24(35-3)13-14-26(25)31/h4-8,11,13-14,16-18,22,27,29H,9-10,12,15H2,1-3H3,(H,33,34)/p-1/t18-,27?,29-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450620
PNG
(Sodium (2S,3R)-3-cyclopropyl-3-((R or S)-3-(2̸...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1COc2ccc(cc2N1)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(19-7-8-19)20-9-12-26-24(13-20)30-25(15-34-26)18-5-3-17(4-6-18)22-14-21(33-2)10-11-23(22)29/h3-6,9-14,16,19,25,27,30H,7-8,15H2,1-2H3,(H,31,32)/p-1/t16-,25?,27-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450615
PNG
((2S,3R)-3-((S or R)-2-(1- (2,5-bis(trifluoromethyl...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2CCC(C3CCN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3)N(C)c2c1)C(O)=O
Show InChI InChI=1S/C31H36F6N2O2/c1-18(29(40)41)28(21-4-5-21)22-6-3-19-7-10-26(38(2)27(19)16-22)20-11-13-39(14-12-20)17-23-15-24(30(32,33)34)8-9-25(23)31(35,36)37/h3,6,8-9,15-16,18,20-21,26,28H,4-5,7,10-14,17H2,1-2H3,(H,40,41)/t18-,26?,28-/m0/s1
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n/an/an/an/a 289n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450620
PNG
(Sodium (2S,3R)-3-cyclopropyl-3-((R or S)-3-(2̸...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1COc2ccc(cc2N1)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C28H28FNO4/c1-16(28(31)32)27(19-7-8-19)20-9-12-26-24(13-20)30-25(15-34-26)18-5-3-17(4-6-18)22-14-21(33-2)10-11-23(22)29/h3-6,9-14,16,19,25,27,30H,7-8,15H2,1-2H3,(H,31,32)/p-1/t16-,25?,27-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450610
PNG
(Sodium (2S,3S)-3-((R or S)-3-(1-(2,5-bis(trifluoro...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2OCC(C3CCN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3)N(C)c2c1)C([O-])=O
Show InChI InChI=1S/C30H34F6N2O3/c1-17(28(39)40)27(19-3-4-19)20-5-8-26-24(14-20)37(2)25(16-41-26)18-9-11-38(12-10-18)15-21-13-22(29(31,32)33)6-7-23(21)30(34,35)36/h5-8,13-14,17-19,25,27H,3-4,9-12,15-16H2,1-2H3,(H,39,40)/p-1/t17-,25?,27-/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450612
PNG
(Sodium (2S,3R)-3-((R or S)-2-(1-(2,5-bis(trifluoro...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2CCC(Nc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C([O-])=O
Show InChI InChI=1S/C30H34F6N2O2/c1-17(28(39)40)27(20-3-4-20)21-5-2-18-6-9-25(37-26(18)15-21)19-10-12-38(13-11-19)16-22-14-23(29(31,32)33)7-8-24(22)30(34,35)36/h2,5,7-8,14-15,17,19-20,25,27,37H,3-4,6,9-13,16H2,1H3,(H,39,40)/p-1/t17-,25?,27-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450622
PNG
(Sodium (2S,3R)-3-cyclopropyl-3-((R or S)-3-(2̸...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)C1COc2ccc(cc2N1C)[C@@H]([C@H](C)C([O-])=O)C1CC1
Show InChI InChI=1S/C29H30FNO4/c1-17(29(32)33)28(20-8-9-20)21-10-13-27-25(14-21)31(2)26(16-35-27)19-6-4-18(5-7-19)23-15-22(34-3)11-12-24(23)30/h4-7,10-15,17,20,26,28H,8-9,16H2,1-3H3,(H,32,33)/p-1/t17-,26?,28-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450609
PNG
(Sodium (2S,3R)-methyl 3- ((S or R)-3-(1-(2,5- bis(...)
Show SMILES C[C@@H](C(C1CC1)c1ccc2OCC(Nc2c1)C1CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1)C([O-])=O
Show InChI InChI=1S/C29H32F6N2O3/c1-16(27(38)39)26(18-2-3-18)19-4-7-25-23(13-19)36-24(15-40-25)17-8-10-37(11-9-17)14-20-12-21(28(30,31)32)5-6-22(20)29(33,34)35/h4-7,12-13,16-18,24,26,36H,2-3,8-11,14-15H2,1H3,(H,38,39)/p-1/t16-,24?,26?/m0/s1
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n/an/an/an/a 642n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM450614
PNG
((2S,3R)-3-((R or S)-2-(1-(2,5-bis(trifluoromethyl)...)
Show SMILES C[C@@H]([C@@H](C1CC1)c1ccc2CCC(C3CCN(Cc4cc(ccc4C(F)(F)F)C(F)(F)F)CC3)N(C)c2c1)C([O-])=O
Show InChI InChI=1S/C31H36F6N2O2/c1-18(29(40)41)28(21-4-5-21)22-6-3-19-7-10-26(38(2)27(19)16-22)20-11-13-39(14-12-20)17-23-15-24(30(32,33)34)8-9-25(23)31(35,36)37/h3,6,8-9,15-16,18,20-21,26,28H,4-5,7,10-14,17H2,1-2H3,(H,40,41)/p-1/t18-,26?,28-/m0/s1
PDB

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n/an/an/an/a 439n/an/an/an/a



Merch Sharp & Dohne Corp. Rahway

US Patent


Assay Description
The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fet...


US Patent US10676458 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%